Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL9521338 | 0.83 | ALDH1A1 (0.45) | ALDH1A1HSD17B10LMNATHRBCYP3A4 | |
| Ethyl Acetate SCHEMBL7986575 | 0.77 | ALDH1A1 (0.61) | ALDH1A1HSD17B10LMNAKMT2ACYP2D6 | |
| SCHEMBL15052832 | 0.77 | — | — | |
| Cyclohexanone SCHEMBL2259986 | 0.76 | ALDH1A1 (0.58) | ALDH1A1HSD17B10LMNAKMT2ACYP2D6 | |
| Cycloheptanone SCHEMBL10412695 | 0.76 | ALDH1A1 (0.58) | ALDH1A1HSD17B10LMNAKMT2ACYP2D6 | |
| SCHEMBL24565374 | 0.72 | ALDH1A1 (0.47) | ALDH1A1HSD17B10LMNATHRBKMT2A | |
| SCHEMBL27658612 | 0.72 | THRB (0.45) | ALDH1A1HSD17B10LMNATHRBCYP3A4 | |
| SCHEMBL141713 | 0.72 | ALDH1A1 (0.47) | ALDH1A1HSD17B10LMNATHRBKMT2A | |
| SCHEMBL2328278 | 0.71 | — | — | |
| Cyclohexane SCHEMBL5908851 | 0.69 | ALDH1A1 (0.82) | ALDH1A1HSD17B10LMNATHRBGAA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6150351-A | ADMINISTERING AN EFFECTIVE AMOUNT OF THE CEPHEM COMPOUND TO A PATIENT SUFFERING FROM DISEASES CAUSED BY HELICOBACTER PYLORI | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-11-21 | — | — | US | disclosed |
| EP-0882052-A1 | NEW CEPHEM COMPOUNDS AND PHARMACEUTICAL USE THEREOF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-12-09 | — | — | EP | disclosed |
| WO-1997029111-A1 | NEW CEPHEM COMPOUNDS AND PHARMACEUTICAL USE THEREOF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-08-14 | — | — | WO | disclosed |